N-(2-chloro-6-methylphenyl)-4-methyl-2-[(2-methyl-1-oxopropan-2-yl)amino]-1,3-thiazole-5-carboxamide

C16H18ClN3O2S — CID 87924245

IUPACN-(2-chloro-6-methylphenyl)-4-methyl-2-[(2-methyl-1-oxopropan-2-yl)amino]-1,3-thiazole-5-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)c1sc(NC(C)(C)C=O)nc1C
InChIInChI=1S/C16H18ClN3O2S/c1-9-6-5-7-11(17)12(9)19-14(22)13-10(2)18-15(23-13)20-16(3,4)8-21/h5-8H,1-4H3,(H,18,20)(H,19,22)
InChIKeySGWYVGSLYDYFMB-UHFFFAOYSA-N
MW351.86 g/mol
LogP4.06
Rot. Bonds5

About N-(2-chloro-6-methylphenyl)-4-methyl-2-[(2-methyl-1-oxopropan-2-yl)amino]-1,3-thiazole-5-carboxamide

N-(2-chloro-6-methylphenyl)-4-methyl-2-[(2-methyl-1-oxopropan-2-yl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 87924245) has the molecular formula C16H18ClN3O2S and a molecular weight of 351.86 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-4-methyl-2-[(2-methyl-1-oxopropan-2-yl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-4-methyl-2-[(2-methyl-1-oxopropan-2-yl)amino]-1,3-thiazole-5-carboxamide
PubChem CID87924245
Molecular FormulaC16H18ClN3O2S
Molecular Weight351.86 g/mol
Exact Mass351.08
IUPAC NameN-(2-chloro-6-methylphenyl)-4-methyl-2-[(2-methyl-1-oxopropan-2-yl)amino]-1,3-thiazole-5-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)c1sc(NC(C)(C)C=O)nc1C
InChIInChI=1S/C16H18ClN3O2S/c1-9-6-5-7-11(17)12(9)19-14(22)13-10(2)18-15(23-13)20-16(3,4)8-21/h5-8H,1-4H3,(H,18,20)(H,19,22)
InChIKeySGWYVGSLYDYFMB-UHFFFAOYSA-N
XLogP4.06
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-(2-chloro-6-methylphenyl)-4-methyl-2-[(2-methyl-1-oxopropan-2-yl)amino]-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-N-(2-chloro-6-methylphenyl)benzamide
CID 721211
N-(2-chloro-6-methylphenyl)-2-[[6-[3-(1H-imidazol-2-yl)propylamino]-2-pyridinyl]amino]-4-methyl-1,3-thiazole-5-carboxamide
CID 54485111
2,6-dichloro-N-(2-chloro-6-methylphenyl)benzamide
CID 4548334
N-(2,6-dimethylphenyl)-2-[(4-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16897789
2-(butylcarbamoylamino)-N-(2-chloro-6-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide;1,3-thiazole-5-carboxamide
CID 87864761
N-(2-chloro-6-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66255718
6-[(2-chloro-6-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 66254491
2-amino-N-(2-ethyl-6-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793049
N-(3-chloro-2-methylphenyl)-2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxamide
CID 100773126
N-(2,6-dichlorophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134324
2-[(4-chlorobenzoyl)amino]-N-(2-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 1468203
N-(2-chloro-6-methylphenyl)thiophene-2-carboxamide
CID 66254505

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-4-methyl-2-[(2-methyl-1-oxopropan-2-yl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-4-methyl-2-[(2-methyl-1-oxopropan-2-yl)amino]-1,3-thiazole-5-carboxamide (CID 87924245) is N-(2-chloro-6-methylphenyl)-4-methyl-2-[(2-methyl-1-oxopropan-2-yl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-4-methyl-2-[(2-methyl-1-oxopropan-2-yl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-4-methyl-2-[(2-methyl-1-oxopropan-2-yl)amino]-1,3-thiazole-5-carboxamide is Cc1cccc(Cl)c1NC(=O)c1sc(NC(C)(C)C=O)nc1C.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-4-methyl-2-[(2-methyl-1-oxopropan-2-yl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is SGWYVGSLYDYFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2S/c1-9-6-5-7-11(17)12(9)19-14(22)13-10(2)18-15(23-13)20-16(3,4)8-21/h5-8H,1-4H3,(H,18,20)(H,19,22).
What are the key properties of N-(2-chloro-6-methylphenyl)-4-methyl-2-[(2-methyl-1-oxopropan-2-yl)amino]-1,3-thiazole-5-carboxamide?
N-(2-chloro-6-methylphenyl)-4-methyl-2-[(2-methyl-1-oxopropan-2-yl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 351.86 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-4-methyl-2-[(2-methyl-1-oxopropan-2-yl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 87924245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).